7-amino-N-(3-methylsulfonylpropyl)heptanamide

C11H24N2O3S — CID 54904867

IUPAC7-amino-N-(3-methylsulfonylpropyl)heptanamide
SMILESCS(=O)(=O)CCCNC(=O)CCCCCCN
InChIInChI=1S/C11H24N2O3S/c1-17(15,16)10-6-9-13-11(14)7-4-2-3-5-8-12/h2-10,12H2,1H3,(H,13,14)
InChIKeyXNCMNDDUMKZVPJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.45
Rot. Bonds10

About 7-amino-N-(3-methylsulfonylpropyl)heptanamide

7-amino-N-(3-methylsulfonylpropyl)heptanamide (PubChem CID 54904867) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 7-amino-N-(3-methylsulfonylpropyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(3-methylsulfonylpropyl)heptanamide
PubChem CID54904867
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name7-amino-N-(3-methylsulfonylpropyl)heptanamide
SMILESCS(=O)(=O)CCCNC(=O)CCCCCCN
InChIInChI=1S/C11H24N2O3S/c1-17(15,16)10-6-9-13-11(14)7-4-2-3-5-8-12/h2-10,12H2,1H3,(H,13,14)
InChIKeyXNCMNDDUMKZVPJ-UHFFFAOYSA-N
XLogP0.45
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
7-amino-N-butylheptanamide
CID 24689519
6-amino-N-butylhexanamide
CID 14914743
N-(6-aminohexyl)-2-methylsulfonylacetamide
CID 107843916
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N-(6-aminohexyl)dodecanamide
CID 13030555
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(9-aminononyl)nonanamide
CID 154091260
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-methylsulfonylpropyl)heptanamide?
The IUPAC name of 7-amino-N-(3-methylsulfonylpropyl)heptanamide (CID 54904867) is 7-amino-N-(3-methylsulfonylpropyl)heptanamide.
What is the SMILES notation for 7-amino-N-(3-methylsulfonylpropyl)heptanamide?
The canonical SMILES for 7-amino-N-(3-methylsulfonylpropyl)heptanamide is CS(=O)(=O)CCCNC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-(3-methylsulfonylpropyl)heptanamide?
The InChIKey is XNCMNDDUMKZVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-17(15,16)10-6-9-13-11(14)7-4-2-3-5-8-12/h2-10,12H2,1H3,(H,13,14).
What are the key properties of 7-amino-N-(3-methylsulfonylpropyl)heptanamide?
7-amino-N-(3-methylsulfonylpropyl)heptanamide has a molecular weight of 264.39 g/mol, XLogP of 0.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-methylsulfonylpropyl)heptanamide is sourced from PubChem (CID 54904867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).